USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0473 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0725 (180deg=-0.477) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= -0.577 (180deg=-2.63!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 28 GLN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0661 (180deg=-0.416) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0127 (180deg=-0.18) USER MOD Single : A 39 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0973) USER MOD Single : A 41 TYR OH : rot 165:sc= 0.0338 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.173 F(o=-0.76,f=-0.17) USER MOD Single : A 60 GLN : amide:sc= -1.98 K(o=-2,f=-7.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 165:sc= -1.18 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.05 K(o=-1,f=-2.3!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 18:sc= 0.348 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.107 -30.015 12.659 1.00 0.00 N ATOM 2 CA GLY A 1 19.222 -31.132 12.385 1.00 0.00 C ATOM 3 C GLY A 1 18.084 -30.756 11.456 1.00 0.00 C ATOM 4 O GLY A 1 16.918 -30.789 11.848 1.00 0.00 O ATOM 0 H1 GLY A 1 20.867 -30.323 13.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.521 -29.673 11.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.568 -29.247 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.796 -31.946 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.812 -31.506 13.323 1.00 0.00 H new ATOM 8 N SER A 2 18.424 -30.396 10.223 1.00 0.00 N ATOM 9 CA SER A 2 17.422 -30.006 9.237 1.00 0.00 C ATOM 10 C SER A 2 18.034 -29.927 7.842 1.00 0.00 C ATOM 11 O SER A 2 19.254 -29.981 7.683 1.00 0.00 O ATOM 12 CB SER A 2 16.805 -28.657 9.613 1.00 0.00 C ATOM 13 OG SER A 2 15.650 -28.391 8.835 1.00 0.00 O ATOM 0 H SER A 2 19.385 -30.366 9.882 1.00 0.00 H new ATOM 0 HA SER A 2 16.641 -30.766 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.543 -28.655 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.538 -27.864 9.465 1.00 0.00 H new ATOM 0 HG SER A 2 15.273 -27.525 9.095 1.00 0.00 H new ATOM 19 N SER A 3 17.178 -29.800 6.833 1.00 0.00 N ATOM 20 CA SER A 3 17.633 -29.717 5.450 1.00 0.00 C ATOM 21 C SER A 3 16.537 -29.154 4.551 1.00 0.00 C ATOM 22 O SER A 3 15.356 -29.191 4.894 1.00 0.00 O ATOM 23 CB SER A 3 18.061 -31.098 4.949 1.00 0.00 C ATOM 24 OG SER A 3 18.895 -30.990 3.808 1.00 0.00 O ATOM 0 H SER A 3 16.166 -29.752 6.947 1.00 0.00 H new ATOM 0 HA SER A 3 18.489 -29.044 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.590 -31.628 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.179 -31.689 4.704 1.00 0.00 H new ATOM 0 HG SER A 3 19.156 -31.886 3.508 1.00 0.00 H new ATOM 30 N GLY A 4 16.938 -28.633 3.395 1.00 0.00 N ATOM 31 CA GLY A 4 15.979 -28.069 2.463 1.00 0.00 C ATOM 32 C GLY A 4 16.633 -27.572 1.189 1.00 0.00 C ATOM 33 O GLY A 4 17.092 -26.432 1.122 1.00 0.00 O ATOM 0 H GLY A 4 17.910 -28.592 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.232 -28.823 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.452 -27.244 2.943 1.00 0.00 H new ATOM 37 N SER A 5 16.677 -28.430 0.175 1.00 0.00 N ATOM 38 CA SER A 5 17.284 -28.074 -1.102 1.00 0.00 C ATOM 39 C SER A 5 16.898 -26.655 -1.510 1.00 0.00 C ATOM 40 O SER A 5 17.755 -25.842 -1.858 1.00 0.00 O ATOM 41 CB SER A 5 16.857 -29.063 -2.188 1.00 0.00 C ATOM 42 OG SER A 5 17.193 -28.581 -3.478 1.00 0.00 O ATOM 0 H SER A 5 16.299 -29.377 0.213 1.00 0.00 H new ATOM 0 HA SER A 5 18.367 -28.119 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.341 -30.025 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.782 -29.232 -2.128 1.00 0.00 H new ATOM 0 HG SER A 5 16.911 -29.232 -4.154 1.00 0.00 H new ATOM 48 N SER A 6 15.602 -26.366 -1.466 1.00 0.00 N ATOM 49 CA SER A 6 15.100 -25.047 -1.834 1.00 0.00 C ATOM 50 C SER A 6 14.624 -24.283 -0.602 1.00 0.00 C ATOM 51 O SER A 6 14.010 -24.855 0.298 1.00 0.00 O ATOM 52 CB SER A 6 13.956 -25.176 -2.842 1.00 0.00 C ATOM 53 OG SER A 6 13.518 -23.903 -3.283 1.00 0.00 O ATOM 0 H SER A 6 14.880 -27.027 -1.179 1.00 0.00 H new ATOM 0 HA SER A 6 15.917 -24.490 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.285 -25.767 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.124 -25.712 -2.386 1.00 0.00 H new ATOM 0 HG SER A 6 12.788 -24.013 -3.927 1.00 0.00 H new ATOM 59 N GLY A 7 14.912 -22.986 -0.570 1.00 0.00 N ATOM 60 CA GLY A 7 14.507 -22.163 0.555 1.00 0.00 C ATOM 61 C GLY A 7 14.227 -20.729 0.154 1.00 0.00 C ATOM 62 O GLY A 7 15.097 -19.866 0.258 1.00 0.00 O ATOM 0 H GLY A 7 15.419 -22.490 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.614 -22.590 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.290 -22.179 1.313 1.00 0.00 H new ATOM 66 N GLY A 8 13.006 -20.473 -0.308 1.00 0.00 N ATOM 67 CA GLY A 8 12.636 -19.132 -0.722 1.00 0.00 C ATOM 68 C GLY A 8 11.351 -19.108 -1.526 1.00 0.00 C ATOM 69 O GLY A 8 10.659 -20.120 -1.633 1.00 0.00 O ATOM 0 H GLY A 8 12.267 -21.170 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.521 -18.501 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.442 -18.703 -1.318 1.00 0.00 H new ATOM 73 N GLU A 9 11.030 -17.948 -2.091 1.00 0.00 N ATOM 74 CA GLU A 9 9.818 -17.796 -2.887 1.00 0.00 C ATOM 75 C GLU A 9 10.008 -16.741 -3.972 1.00 0.00 C ATOM 76 O GLU A 9 10.745 -15.769 -3.806 1.00 0.00 O ATOM 77 CB GLU A 9 8.637 -17.415 -1.991 1.00 0.00 C ATOM 78 CG GLU A 9 8.771 -16.039 -1.361 1.00 0.00 C ATOM 79 CD GLU A 9 7.644 -15.726 -0.396 1.00 0.00 C ATOM 80 OE1 GLU A 9 7.594 -16.353 0.683 1.00 0.00 O ATOM 81 OE2 GLU A 9 6.811 -14.854 -0.721 1.00 0.00 O ATOM 0 H GLU A 9 11.592 -17.101 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 9 9.607 -18.752 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.720 -17.448 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.536 -18.159 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.723 -15.976 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.791 -15.284 -2.147 1.00 0.00 H new ATOM 88 N PRO A 10 9.329 -16.937 -5.112 1.00 0.00 N ATOM 89 CA PRO A 10 9.407 -16.013 -6.248 1.00 0.00 C ATOM 90 C PRO A 10 8.728 -14.679 -5.958 1.00 0.00 C ATOM 91 O PRO A 10 8.092 -14.508 -4.919 1.00 0.00 O ATOM 92 CB PRO A 10 8.667 -16.758 -7.362 1.00 0.00 C ATOM 93 CG PRO A 10 7.733 -17.674 -6.650 1.00 0.00 C ATOM 94 CD PRO A 10 8.433 -18.074 -5.380 1.00 0.00 C ATOM 0 HA PRO A 10 10.437 -15.759 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.127 -16.067 -8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.360 -17.313 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.787 -17.177 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.502 -18.547 -7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.727 -18.230 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.989 -19.003 -5.503 1.00 0.00 H new ATOM 102 N GLY A 11 8.867 -13.735 -6.884 1.00 0.00 N ATOM 103 CA GLY A 11 8.262 -12.428 -6.709 1.00 0.00 C ATOM 104 C GLY A 11 7.701 -11.870 -8.002 1.00 0.00 C ATOM 105 O GLY A 11 8.067 -10.773 -8.425 1.00 0.00 O ATOM 0 H GLY A 11 9.388 -13.853 -7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.464 -12.497 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.006 -11.737 -6.311 1.00 0.00 H new ATOM 109 N THR A 12 6.811 -12.629 -8.635 1.00 0.00 N ATOM 110 CA THR A 12 6.201 -12.205 -9.889 1.00 0.00 C ATOM 111 C THR A 12 4.774 -11.716 -9.669 1.00 0.00 C ATOM 112 O THR A 12 3.947 -12.420 -9.089 1.00 0.00 O ATOM 113 CB THR A 12 6.185 -13.350 -10.920 1.00 0.00 C ATOM 114 OG1 THR A 12 5.618 -12.891 -12.153 1.00 0.00 O ATOM 115 CG2 THR A 12 5.388 -14.536 -10.400 1.00 0.00 C ATOM 0 H THR A 12 6.497 -13.540 -8.300 1.00 0.00 H new ATOM 0 HA THR A 12 6.808 -11.386 -10.275 1.00 0.00 H new ATOM 0 HB THR A 12 7.213 -13.670 -11.090 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.613 -13.624 -12.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.391 -15.331 -11.145 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.839 -14.901 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.361 -14.227 -10.204 1.00 0.00 H new ATOM 123 N LYS A 13 4.491 -10.504 -10.136 1.00 0.00 N ATOM 124 CA LYS A 13 3.163 -9.920 -9.992 1.00 0.00 C ATOM 125 C LYS A 13 2.311 -10.194 -11.227 1.00 0.00 C ATOM 126 O LYS A 13 2.577 -9.664 -12.306 1.00 0.00 O ATOM 127 CB LYS A 13 3.269 -8.412 -9.757 1.00 0.00 C ATOM 128 CG LYS A 13 3.992 -8.046 -8.472 1.00 0.00 C ATOM 129 CD LYS A 13 4.612 -6.661 -8.556 1.00 0.00 C ATOM 130 CE LYS A 13 5.884 -6.670 -9.391 1.00 0.00 C ATOM 131 NZ LYS A 13 6.954 -7.492 -8.762 1.00 0.00 N ATOM 0 H LYS A 13 5.164 -9.908 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 13 2.682 -10.383 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.790 -7.957 -10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.266 -7.985 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.293 -8.082 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.770 -8.782 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.894 -5.966 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.837 -6.300 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.663 -7.060 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.240 -5.648 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.880 -7.204 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.940 -7.351 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.791 -8.497 -8.976 1.00 0.00 H new ATOM 145 N ALA A 14 1.286 -11.023 -11.062 1.00 0.00 N ATOM 146 CA ALA A 14 0.393 -11.364 -12.163 1.00 0.00 C ATOM 147 C ALA A 14 -1.035 -10.918 -11.870 1.00 0.00 C ATOM 148 O ALA A 14 -1.780 -11.606 -11.171 1.00 0.00 O ATOM 149 CB ALA A 14 0.437 -12.860 -12.434 1.00 0.00 C ATOM 0 H ALA A 14 1.053 -11.471 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 14 0.735 -10.835 -13.053 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.234 -13.100 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.454 -13.152 -12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.123 -13.401 -11.541 1.00 0.00 H new ATOM 155 N LYS A 15 -1.412 -9.763 -12.407 1.00 0.00 N ATOM 156 CA LYS A 15 -2.752 -9.225 -12.204 1.00 0.00 C ATOM 157 C LYS A 15 -3.142 -8.293 -13.347 1.00 0.00 C ATOM 158 O LYS A 15 -2.283 -7.753 -14.044 1.00 0.00 O ATOM 159 CB LYS A 15 -2.826 -8.475 -10.872 1.00 0.00 C ATOM 160 CG LYS A 15 -1.755 -7.410 -10.713 1.00 0.00 C ATOM 161 CD LYS A 15 -2.197 -6.082 -11.304 1.00 0.00 C ATOM 162 CE LYS A 15 -1.012 -5.279 -11.818 1.00 0.00 C ATOM 163 NZ LYS A 15 -1.444 -4.027 -12.499 1.00 0.00 N ATOM 0 H LYS A 15 -0.808 -9.181 -12.987 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.453 -10.059 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.807 -8.008 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.738 -9.192 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.524 -7.280 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.838 -7.739 -11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.898 -6.261 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.728 -5.505 -10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.353 -5.031 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.434 -5.889 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.608 -3.508 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.052 -4.264 -13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.974 -3.433 -11.830 1.00 0.00 H new ATOM 177 N LYS A 16 -4.445 -8.106 -13.533 1.00 0.00 N ATOM 178 CA LYS A 16 -4.950 -7.237 -14.588 1.00 0.00 C ATOM 179 C LYS A 16 -5.313 -5.862 -14.035 1.00 0.00 C ATOM 180 O LYS A 16 -4.746 -4.849 -14.441 1.00 0.00 O ATOM 181 CB LYS A 16 -6.174 -7.869 -15.255 1.00 0.00 C ATOM 182 CG LYS A 16 -5.902 -9.239 -15.851 1.00 0.00 C ATOM 183 CD LYS A 16 -7.193 -9.970 -16.182 1.00 0.00 C ATOM 184 CE LYS A 16 -7.846 -9.408 -17.435 1.00 0.00 C ATOM 185 NZ LYS A 16 -8.587 -8.146 -17.156 1.00 0.00 N ATOM 0 H LYS A 16 -5.170 -8.545 -12.966 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.162 -7.114 -15.330 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.974 -7.954 -14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.533 -7.205 -16.041 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.302 -9.131 -16.755 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.317 -9.833 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.986 -11.031 -16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.884 -9.889 -15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.082 -9.221 -18.190 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.531 -10.147 -17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.522 -8.185 -17.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.705 -8.033 -16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.052 -7.338 -17.534 1.00 0.00 H new ATOM 199 N GLY A 17 -6.262 -5.836 -13.104 1.00 0.00 N ATOM 200 CA GLY A 17 -6.683 -4.581 -12.509 1.00 0.00 C ATOM 201 C GLY A 17 -7.854 -4.752 -11.561 1.00 0.00 C ATOM 202 O GLY A 17 -9.000 -4.493 -11.928 1.00 0.00 O ATOM 0 H GLY A 17 -6.747 -6.661 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.845 -4.139 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.958 -3.882 -13.299 1.00 0.00 H new ATOM 206 N ARG A 18 -7.566 -5.191 -10.340 1.00 0.00 N ATOM 207 CA ARG A 18 -8.604 -5.399 -9.339 1.00 0.00 C ATOM 208 C ARG A 18 -8.962 -4.088 -8.645 1.00 0.00 C ATOM 209 O ARG A 18 -8.220 -3.109 -8.726 1.00 0.00 O ATOM 210 CB ARG A 18 -8.145 -6.427 -8.303 1.00 0.00 C ATOM 211 CG ARG A 18 -8.496 -7.860 -8.670 1.00 0.00 C ATOM 212 CD ARG A 18 -9.958 -8.166 -8.385 1.00 0.00 C ATOM 213 NE ARG A 18 -10.822 -7.798 -9.503 1.00 0.00 N ATOM 214 CZ ARG A 18 -12.149 -7.806 -9.440 1.00 0.00 C ATOM 215 NH1 ARG A 18 -12.760 -8.162 -8.318 1.00 0.00 N ATOM 216 NH2 ARG A 18 -12.867 -7.458 -10.500 1.00 0.00 N ATOM 0 H ARG A 18 -6.622 -5.409 -10.021 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.492 -5.776 -9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.065 -6.347 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.596 -6.186 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.287 -8.028 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.863 -8.546 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.071 -9.229 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.273 -7.628 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.383 -7.520 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.211 -8.430 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.779 -8.167 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.400 -7.184 -11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.886 -7.465 -10.450 1.00 0.00 H new ATOM 230 N ARG A 19 -10.103 -4.076 -7.964 1.00 0.00 N ATOM 231 CA ARG A 19 -10.560 -2.885 -7.258 1.00 0.00 C ATOM 232 C ARG A 19 -10.996 -3.229 -5.837 1.00 0.00 C ATOM 233 O ARG A 19 -11.170 -4.399 -5.497 1.00 0.00 O ATOM 234 CB ARG A 19 -11.718 -2.231 -8.014 1.00 0.00 C ATOM 235 CG ARG A 19 -11.292 -1.533 -9.295 1.00 0.00 C ATOM 236 CD ARG A 19 -10.784 -0.126 -9.019 1.00 0.00 C ATOM 237 NE ARG A 19 -10.813 0.711 -10.216 1.00 0.00 N ATOM 238 CZ ARG A 19 -10.351 1.955 -10.254 1.00 0.00 C ATOM 239 NH1 ARG A 19 -9.826 2.504 -9.167 1.00 0.00 N ATOM 240 NH2 ARG A 19 -10.412 2.653 -11.381 1.00 0.00 N ATOM 0 H ARG A 19 -10.728 -4.878 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.728 -2.183 -7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.460 -2.993 -8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.205 -1.507 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.510 -2.114 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.135 -1.488 -9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.393 0.333 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.764 -0.177 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.210 0.318 -11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.776 1.970 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.472 3.460 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.814 2.234 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.057 3.609 -11.409 1.00 0.00 H new ATOM 254 N SER A 20 -11.168 -2.202 -5.012 1.00 0.00 N ATOM 255 CA SER A 20 -11.579 -2.395 -3.626 1.00 0.00 C ATOM 256 C SER A 20 -13.099 -2.353 -3.499 1.00 0.00 C ATOM 257 O SER A 20 -13.723 -1.316 -3.726 1.00 0.00 O ATOM 258 CB SER A 20 -10.951 -1.325 -2.731 1.00 0.00 C ATOM 259 OG SER A 20 -9.539 -1.436 -2.718 1.00 0.00 O ATOM 0 H SER A 20 -11.029 -1.227 -5.279 1.00 0.00 H new ATOM 0 HA SER A 20 -11.232 -3.377 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.238 -0.335 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.336 -1.424 -1.716 1.00 0.00 H new ATOM 0 HG SER A 20 -9.161 -0.740 -2.140 1.00 0.00 H new ATOM 265 N ARG A 21 -13.688 -3.488 -3.135 1.00 0.00 N ATOM 266 CA ARG A 21 -15.134 -3.582 -2.979 1.00 0.00 C ATOM 267 C ARG A 21 -15.539 -3.369 -1.523 1.00 0.00 C ATOM 268 O ARG A 21 -16.319 -2.470 -1.208 1.00 0.00 O ATOM 269 CB ARG A 21 -15.633 -4.944 -3.464 1.00 0.00 C ATOM 270 CG ARG A 21 -17.130 -4.987 -3.724 1.00 0.00 C ATOM 271 CD ARG A 21 -17.462 -4.552 -5.143 1.00 0.00 C ATOM 272 NE ARG A 21 -18.902 -4.530 -5.386 1.00 0.00 N ATOM 273 CZ ARG A 21 -19.726 -3.639 -4.844 1.00 0.00 C ATOM 274 NH1 ARG A 21 -19.254 -2.702 -4.034 1.00 0.00 N ATOM 275 NH2 ARG A 21 -21.024 -3.684 -5.114 1.00 0.00 N ATOM 0 H ARG A 21 -13.186 -4.355 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.591 -2.799 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.106 -5.209 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.380 -5.700 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.501 -5.998 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.642 -4.338 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.049 -3.560 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.985 -5.230 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.297 -5.237 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.256 -2.664 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.888 -2.019 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.390 -4.403 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -21.656 -3.000 -4.698 1.00 0.00 H new ATOM 289 N THR A 22 -15.003 -4.204 -0.637 1.00 0.00 N ATOM 290 CA THR A 22 -15.309 -4.109 0.785 1.00 0.00 C ATOM 291 C THR A 22 -14.458 -3.040 1.460 1.00 0.00 C ATOM 292 O THR A 22 -13.275 -2.890 1.156 1.00 0.00 O ATOM 293 CB THR A 22 -15.084 -5.456 1.499 1.00 0.00 C ATOM 294 OG1 THR A 22 -15.419 -5.337 2.886 1.00 0.00 O ATOM 295 CG2 THR A 22 -13.638 -5.907 1.358 1.00 0.00 C ATOM 0 H THR A 22 -14.355 -4.953 -0.880 1.00 0.00 H new ATOM 0 HA THR A 22 -16.361 -3.835 0.865 1.00 0.00 H new ATOM 0 HB THR A 22 -15.728 -6.202 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.275 -6.198 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.503 -6.860 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.395 -6.024 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.979 -5.160 1.801 1.00 0.00 H new ATOM 303 N VAL A 23 -15.068 -2.299 2.380 1.00 0.00 N ATOM 304 CA VAL A 23 -14.365 -1.244 3.100 1.00 0.00 C ATOM 305 C VAL A 23 -13.614 -1.805 4.302 1.00 0.00 C ATOM 306 O VAL A 23 -13.873 -2.926 4.741 1.00 0.00 O ATOM 307 CB VAL A 23 -15.336 -0.149 3.581 1.00 0.00 C ATOM 308 CG1 VAL A 23 -16.016 0.519 2.396 1.00 0.00 C ATOM 309 CG2 VAL A 23 -16.365 -0.733 4.537 1.00 0.00 C ATOM 0 H VAL A 23 -16.047 -2.410 2.644 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.652 -0.806 2.402 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.765 0.609 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -16.698 1.290 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.262 0.973 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -16.576 -0.226 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.043 0.054 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.933 -1.512 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.857 -1.160 5.402 1.00 0.00 H new ATOM 319 N PHE A 24 -12.682 -1.019 4.831 1.00 0.00 N ATOM 320 CA PHE A 24 -11.892 -1.438 5.983 1.00 0.00 C ATOM 321 C PHE A 24 -12.550 -0.990 7.285 1.00 0.00 C ATOM 322 O PHE A 24 -12.997 0.151 7.408 1.00 0.00 O ATOM 323 CB PHE A 24 -10.476 -0.868 5.891 1.00 0.00 C ATOM 324 CG PHE A 24 -9.664 -1.457 4.773 1.00 0.00 C ATOM 325 CD1 PHE A 24 -8.964 -2.640 4.956 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.600 -0.830 3.540 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.216 -3.184 3.929 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.854 -1.369 2.509 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.161 -2.548 2.704 1.00 0.00 C ATOM 0 H PHE A 24 -12.455 -0.088 4.480 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.838 -2.527 5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.536 0.212 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.960 -1.043 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.004 -3.142 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.140 0.092 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.675 -4.106 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.813 -0.869 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.577 -2.972 1.900 1.00 0.00 H new ATOM 339 N THR A 25 -12.606 -1.896 8.256 1.00 0.00 N ATOM 340 CA THR A 25 -13.209 -1.596 9.548 1.00 0.00 C ATOM 341 C THR A 25 -12.270 -0.765 10.414 1.00 0.00 C ATOM 342 O THR A 25 -11.051 -0.919 10.347 1.00 0.00 O ATOM 343 CB THR A 25 -13.583 -2.884 10.306 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.398 -3.605 10.660 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.486 -3.768 9.459 1.00 0.00 C ATOM 0 H THR A 25 -12.241 -2.845 8.172 1.00 0.00 H new ATOM 0 HA THR A 25 -14.115 -1.024 9.348 1.00 0.00 H new ATOM 0 HB THR A 25 -14.122 -2.603 11.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.644 -4.421 11.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.737 -4.671 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.400 -3.227 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.969 -4.040 8.539 1.00 0.00 H new ATOM 353 N GLU A 26 -12.845 0.116 11.226 1.00 0.00 N ATOM 354 CA GLU A 26 -12.057 0.971 12.106 1.00 0.00 C ATOM 355 C GLU A 26 -10.861 0.213 12.673 1.00 0.00 C ATOM 356 O GLU A 26 -9.746 0.735 12.720 1.00 0.00 O ATOM 357 CB GLU A 26 -12.925 1.505 13.247 1.00 0.00 C ATOM 358 CG GLU A 26 -13.880 2.608 12.822 1.00 0.00 C ATOM 359 CD GLU A 26 -15.066 2.746 13.756 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.963 1.879 13.709 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.095 3.721 14.536 1.00 0.00 O ATOM 0 H GLU A 26 -13.853 0.256 11.293 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.687 1.811 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.500 0.682 13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.278 1.882 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.341 3.555 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.239 2.404 11.813 1.00 0.00 H new ATOM 368 N LEU A 27 -11.100 -1.020 13.104 1.00 0.00 N ATOM 369 CA LEU A 27 -10.043 -1.852 13.669 1.00 0.00 C ATOM 370 C LEU A 27 -8.970 -2.153 12.628 1.00 0.00 C ATOM 371 O LEU A 27 -7.785 -1.916 12.858 1.00 0.00 O ATOM 372 CB LEU A 27 -10.628 -3.159 14.208 1.00 0.00 C ATOM 373 CG LEU A 27 -9.705 -3.991 15.098 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.516 -4.830 16.073 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.804 -4.878 14.251 1.00 0.00 C ATOM 0 H LEU A 27 -12.017 -1.466 13.073 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.582 -1.302 14.489 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.530 -2.924 14.773 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.934 -3.773 13.361 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.076 -3.310 15.672 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.841 -5.415 16.698 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.118 -4.175 16.703 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.171 -5.502 15.518 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.154 -5.463 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.416 -5.550 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.196 -4.257 13.594 1.00 0.00 H new ATOM 387 N GLN A 28 -9.396 -2.673 11.481 1.00 0.00 N ATOM 388 CA GLN A 28 -8.471 -3.005 10.403 1.00 0.00 C ATOM 389 C GLN A 28 -7.641 -1.789 10.006 1.00 0.00 C ATOM 390 O GLN A 28 -6.426 -1.885 9.828 1.00 0.00 O ATOM 391 CB GLN A 28 -9.238 -3.533 9.190 1.00 0.00 C ATOM 392 CG GLN A 28 -10.034 -4.796 9.475 1.00 0.00 C ATOM 393 CD GLN A 28 -9.195 -6.053 9.357 1.00 0.00 C ATOM 394 OE1 GLN A 28 -7.968 -5.989 9.269 1.00 0.00 O ATOM 395 NE2 GLN A 28 -9.853 -7.207 9.354 1.00 0.00 N ATOM 0 H GLN A 28 -10.375 -2.873 11.274 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.796 -3.781 10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.917 -2.758 8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.533 -3.733 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.454 -4.737 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.873 -4.857 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.870 -7.214 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.341 -8.086 9.277 1.00 0.00 H new ATOM 404 N LEU A 29 -8.303 -0.646 9.867 1.00 0.00 N ATOM 405 CA LEU A 29 -7.626 0.590 9.490 1.00 0.00 C ATOM 406 C LEU A 29 -6.616 1.005 10.555 1.00 0.00 C ATOM 407 O LEU A 29 -5.518 1.461 10.239 1.00 0.00 O ATOM 408 CB LEU A 29 -8.647 1.709 9.275 1.00 0.00 C ATOM 409 CG LEU A 29 -9.407 1.678 7.949 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.574 2.653 7.980 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.473 1.998 6.791 1.00 0.00 C ATOM 0 H LEU A 29 -9.308 -0.549 10.010 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.090 0.412 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.373 1.673 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.130 2.665 9.352 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.803 0.673 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.103 2.617 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.256 2.379 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.200 3.663 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.031 1.971 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.047 2.991 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.671 1.261 6.756 1.00 0.00 H new ATOM 423 N MET A 30 -6.996 0.840 11.818 1.00 0.00 N ATOM 424 CA MET A 30 -6.121 1.195 12.930 1.00 0.00 C ATOM 425 C MET A 30 -4.799 0.440 12.844 1.00 0.00 C ATOM 426 O MET A 30 -3.740 0.985 13.154 1.00 0.00 O ATOM 427 CB MET A 30 -6.808 0.892 14.263 1.00 0.00 C ATOM 428 CG MET A 30 -5.913 1.114 15.472 1.00 0.00 C ATOM 429 SD MET A 30 -6.839 1.591 16.944 1.00 0.00 S ATOM 430 CE MET A 30 -7.191 -0.014 17.658 1.00 0.00 C ATOM 0 H MET A 30 -7.902 0.464 12.097 1.00 0.00 H new ATOM 0 HA MET A 30 -5.914 2.263 12.870 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.694 1.520 14.357 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.150 -0.143 14.259 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.355 0.201 15.679 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.182 1.889 15.241 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.761 0.114 18.578 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.771 -0.607 16.951 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.255 -0.527 17.879 1.00 0.00 H new ATOM 440 N GLY A 31 -4.867 -0.819 12.420 1.00 0.00 N ATOM 441 CA GLY A 31 -3.668 -1.628 12.302 1.00 0.00 C ATOM 442 C GLY A 31 -2.909 -1.354 11.018 1.00 0.00 C ATOM 443 O GLY A 31 -1.700 -1.118 11.041 1.00 0.00 O ATOM 0 H GLY A 31 -5.731 -1.293 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.017 -1.434 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.939 -2.683 12.342 1.00 0.00 H new ATOM 447 N LEU A 32 -3.618 -1.387 9.895 1.00 0.00 N ATOM 448 CA LEU A 32 -3.003 -1.143 8.595 1.00 0.00 C ATOM 449 C LEU A 32 -2.254 0.186 8.588 1.00 0.00 C ATOM 450 O LEU A 32 -1.184 0.303 7.993 1.00 0.00 O ATOM 451 CB LEU A 32 -4.068 -1.147 7.497 1.00 0.00 C ATOM 452 CG LEU A 32 -4.497 -2.522 6.983 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.737 -2.403 6.111 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.362 -3.182 6.213 1.00 0.00 C ATOM 0 H LEU A 32 -4.619 -1.580 9.858 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.288 -1.943 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.951 -0.630 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.694 -0.566 6.654 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.740 -3.149 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.027 -3.391 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.552 -1.974 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.522 -1.759 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.685 -4.159 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.087 -2.557 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.500 -3.303 6.869 1.00 0.00 H new ATOM 466 N GLU A 33 -2.825 1.185 9.255 1.00 0.00 N ATOM 467 CA GLU A 33 -2.210 2.505 9.326 1.00 0.00 C ATOM 468 C GLU A 33 -0.999 2.492 10.255 1.00 0.00 C ATOM 469 O GLU A 33 -0.005 3.174 10.008 1.00 0.00 O ATOM 470 CB GLU A 33 -3.227 3.540 9.811 1.00 0.00 C ATOM 471 CG GLU A 33 -4.310 3.853 8.793 1.00 0.00 C ATOM 472 CD GLU A 33 -5.210 4.993 9.229 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.406 5.158 10.451 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.717 5.719 8.349 1.00 0.00 O ATOM 0 H GLU A 33 -3.711 1.105 9.753 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.875 2.776 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.695 3.176 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.702 4.461 10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.845 4.106 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.915 2.962 8.626 1.00 0.00 H new ATOM 481 N LYS A 34 -1.090 1.710 11.326 1.00 0.00 N ATOM 482 CA LYS A 34 -0.004 1.605 12.292 1.00 0.00 C ATOM 483 C LYS A 34 1.217 0.937 11.668 1.00 0.00 C ATOM 484 O LYS A 34 2.356 1.274 11.995 1.00 0.00 O ATOM 485 CB LYS A 34 -0.460 0.814 13.520 1.00 0.00 C ATOM 486 CG LYS A 34 0.263 1.203 14.798 1.00 0.00 C ATOM 487 CD LYS A 34 -0.333 2.457 15.416 1.00 0.00 C ATOM 488 CE LYS A 34 -1.571 2.138 16.240 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.240 1.341 17.453 1.00 0.00 N ATOM 0 H LYS A 34 -1.906 1.139 11.546 1.00 0.00 H new ATOM 0 HA LYS A 34 0.273 2.613 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.531 0.961 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.306 -0.249 13.335 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.207 0.382 15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.319 1.368 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.411 2.941 16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.591 3.165 14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.058 3.067 16.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.283 1.587 15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.994 1.455 18.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.156 0.337 17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.339 1.673 17.851 1.00 0.00 H new ATOM 503 N ARG A 35 0.972 -0.011 10.769 1.00 0.00 N ATOM 504 CA ARG A 35 2.052 -0.726 10.100 1.00 0.00 C ATOM 505 C ARG A 35 2.637 0.111 8.966 1.00 0.00 C ATOM 506 O ARG A 35 3.855 0.198 8.809 1.00 0.00 O ATOM 507 CB ARG A 35 1.546 -2.062 9.554 1.00 0.00 C ATOM 508 CG ARG A 35 1.503 -3.169 10.595 1.00 0.00 C ATOM 509 CD ARG A 35 2.889 -3.474 11.141 1.00 0.00 C ATOM 510 NE ARG A 35 3.014 -4.864 11.571 1.00 0.00 N ATOM 511 CZ ARG A 35 4.153 -5.403 11.992 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.259 -4.673 12.039 1.00 0.00 N ATOM 513 NH2 ARG A 35 4.187 -6.675 12.367 1.00 0.00 N ATOM 0 H ARG A 35 0.036 -0.301 10.487 1.00 0.00 H new ATOM 0 HA ARG A 35 2.838 -0.915 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.546 -1.922 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.188 -2.374 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.845 -2.875 11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.079 -4.070 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.635 -3.263 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.101 -2.814 11.982 1.00 0.00 H new ATOM 0 HE ARG A 35 2.182 -5.453 11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.237 -3.695 11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.132 -5.090 12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.338 -7.240 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.062 -7.088 12.690 1.00 0.00 H new ATOM 527 N PHE A 36 1.761 0.723 8.176 1.00 0.00 N ATOM 528 CA PHE A 36 2.190 1.551 7.055 1.00 0.00 C ATOM 529 C PHE A 36 2.957 2.776 7.546 1.00 0.00 C ATOM 530 O PHE A 36 4.058 3.060 7.076 1.00 0.00 O ATOM 531 CB PHE A 36 0.981 1.991 6.227 1.00 0.00 C ATOM 532 CG PHE A 36 1.351 2.724 4.969 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.995 3.950 5.030 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.056 2.188 3.726 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.336 4.627 3.874 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.395 2.860 2.567 1.00 0.00 C ATOM 537 CZ PHE A 36 2.037 4.081 2.641 1.00 0.00 C ATOM 0 H PHE A 36 0.749 0.661 8.291 1.00 0.00 H new ATOM 0 HA PHE A 36 2.854 0.955 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.390 1.113 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.346 2.632 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.233 4.381 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.555 1.233 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.836 5.582 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.158 2.431 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.305 4.607 1.737 1.00 0.00 H new ATOM 547 N GLU A 37 2.366 3.496 8.494 1.00 0.00 N ATOM 548 CA GLU A 37 2.993 4.691 9.047 1.00 0.00 C ATOM 549 C GLU A 37 4.400 4.383 9.551 1.00 0.00 C ATOM 550 O GLU A 37 5.349 5.113 9.263 1.00 0.00 O ATOM 551 CB GLU A 37 2.144 5.259 10.186 1.00 0.00 C ATOM 552 CG GLU A 37 2.388 4.580 11.524 1.00 0.00 C ATOM 553 CD GLU A 37 1.506 5.132 12.627 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.502 5.801 12.307 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.821 4.893 13.812 1.00 0.00 O ATOM 0 H GLU A 37 1.455 3.273 8.895 1.00 0.00 H new ATOM 0 HA GLU A 37 3.065 5.434 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.351 6.325 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.090 5.162 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.209 3.510 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.434 4.703 11.804 1.00 0.00 H new ATOM 562 N LYS A 38 4.527 3.297 10.306 1.00 0.00 N ATOM 563 CA LYS A 38 5.816 2.890 10.851 1.00 0.00 C ATOM 564 C LYS A 38 6.788 2.524 9.734 1.00 0.00 C ATOM 565 O LYS A 38 7.875 3.092 9.635 1.00 0.00 O ATOM 566 CB LYS A 38 5.640 1.701 11.798 1.00 0.00 C ATOM 567 CG LYS A 38 5.134 2.090 13.176 1.00 0.00 C ATOM 568 CD LYS A 38 5.473 1.033 14.214 1.00 0.00 C ATOM 569 CE LYS A 38 6.863 1.246 14.793 1.00 0.00 C ATOM 570 NZ LYS A 38 6.916 2.436 15.687 1.00 0.00 N ATOM 0 H LYS A 38 3.752 2.682 10.554 1.00 0.00 H new ATOM 0 HA LYS A 38 6.229 3.732 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.943 0.992 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.595 1.186 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.573 3.044 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.054 2.233 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.736 1.060 15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.414 0.044 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.164 0.359 15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.579 1.370 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.753 2.372 16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.975 3.300 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.058 2.468 16.273 1.00 0.00 H new ATOM 584 N GLN A 39 6.388 1.574 8.895 1.00 0.00 N ATOM 585 CA GLN A 39 7.224 1.134 7.785 1.00 0.00 C ATOM 586 C GLN A 39 6.502 1.316 6.454 1.00 0.00 C ATOM 587 O GLN A 39 5.531 0.619 6.161 1.00 0.00 O ATOM 588 CB GLN A 39 7.620 -0.333 7.967 1.00 0.00 C ATOM 589 CG GLN A 39 8.969 -0.679 7.356 1.00 0.00 C ATOM 590 CD GLN A 39 9.466 -2.047 7.778 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.576 -2.186 8.291 1.00 0.00 O ATOM 592 NE2 GLN A 39 8.644 -3.068 7.563 1.00 0.00 N ATOM 0 H GLN A 39 5.490 1.094 8.963 1.00 0.00 H new ATOM 0 HA GLN A 39 8.125 1.748 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.642 -0.565 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.854 -0.966 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.891 -0.644 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.700 0.075 7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.732 -2.907 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.924 -4.013 7.826 1.00 0.00 H new ATOM 601 N LYS A 40 6.982 2.260 5.651 1.00 0.00 N ATOM 602 CA LYS A 40 6.384 2.535 4.350 1.00 0.00 C ATOM 603 C LYS A 40 6.025 1.238 3.631 1.00 0.00 C ATOM 604 O LYS A 40 4.954 1.125 3.034 1.00 0.00 O ATOM 605 CB LYS A 40 7.344 3.359 3.488 1.00 0.00 C ATOM 606 CG LYS A 40 7.581 4.764 4.015 1.00 0.00 C ATOM 607 CD LYS A 40 6.322 5.610 3.930 1.00 0.00 C ATOM 608 CE LYS A 40 6.579 7.038 4.385 1.00 0.00 C ATOM 609 NZ LYS A 40 6.957 7.103 5.824 1.00 0.00 N ATOM 0 H LYS A 40 7.784 2.848 5.879 1.00 0.00 H new ATOM 0 HA LYS A 40 5.470 3.106 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.299 2.838 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.946 3.422 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.917 4.713 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.379 5.238 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.954 5.615 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.541 5.165 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.375 7.474 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.685 7.639 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.975 8.096 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.261 6.576 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.899 6.683 5.955 1.00 0.00 H new ATOM 623 N TYR A 41 6.925 0.263 3.694 1.00 0.00 N ATOM 624 CA TYR A 41 6.702 -1.025 3.049 1.00 0.00 C ATOM 625 C TYR A 41 6.891 -2.170 4.039 1.00 0.00 C ATOM 626 O TYR A 41 7.565 -2.020 5.059 1.00 0.00 O ATOM 627 CB TYR A 41 7.655 -1.197 1.865 1.00 0.00 C ATOM 628 CG TYR A 41 7.729 0.016 0.965 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.552 1.091 1.281 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.977 0.088 -0.201 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.622 2.201 0.463 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.042 1.194 -1.026 1.00 0.00 C ATOM 633 CZ TYR A 41 7.865 2.248 -0.689 1.00 0.00 C ATOM 634 OH TYR A 41 7.934 3.352 -1.508 1.00 0.00 O ATOM 0 H TYR A 41 7.816 0.340 4.185 1.00 0.00 H new ATOM 0 HA TYR A 41 5.674 -1.048 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.653 -1.420 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.337 -2.057 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.147 1.057 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.330 -0.735 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.266 3.028 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.452 1.233 -1.930 1.00 0.00 H new ATOM 0 HH TYR A 41 7.540 3.138 -2.380 1.00 0.00 H new ATOM 644 N LEU A 42 6.291 -3.315 3.730 1.00 0.00 N ATOM 645 CA LEU A 42 6.393 -4.488 4.591 1.00 0.00 C ATOM 646 C LEU A 42 7.144 -5.615 3.889 1.00 0.00 C ATOM 647 O LEU A 42 7.057 -5.769 2.671 1.00 0.00 O ATOM 648 CB LEU A 42 4.999 -4.967 5.000 1.00 0.00 C ATOM 649 CG LEU A 42 4.182 -4.000 5.858 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.721 -4.420 5.894 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.752 -3.925 7.267 1.00 0.00 C ATOM 0 H LEU A 42 5.729 -3.456 2.890 1.00 0.00 H new ATOM 0 HA LEU A 42 6.951 -4.205 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.432 -5.186 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.104 -5.905 5.545 1.00 0.00 H new ATOM 0 HG LEU A 42 4.242 -3.008 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.156 -3.720 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.318 -4.421 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.641 -5.421 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.158 -3.232 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.723 -4.914 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.783 -3.575 7.224 1.00 0.00 H new ATOM 663 N SER A 43 7.881 -6.402 4.667 1.00 0.00 N ATOM 664 CA SER A 43 8.649 -7.515 4.120 1.00 0.00 C ATOM 665 C SER A 43 7.728 -8.658 3.705 1.00 0.00 C ATOM 666 O SER A 43 6.603 -8.775 4.193 1.00 0.00 O ATOM 667 CB SER A 43 9.668 -8.012 5.147 1.00 0.00 C ATOM 668 OG SER A 43 10.797 -8.584 4.510 1.00 0.00 O ATOM 0 H SER A 43 7.962 -6.290 5.678 1.00 0.00 H new ATOM 0 HA SER A 43 9.179 -7.160 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.985 -7.183 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.201 -8.751 5.799 1.00 0.00 H new ATOM 0 HG SER A 43 11.434 -8.892 5.188 1.00 0.00 H new ATOM 674 N THR A 44 8.214 -9.502 2.799 1.00 0.00 N ATOM 675 CA THR A 44 7.436 -10.636 2.316 1.00 0.00 C ATOM 676 C THR A 44 6.697 -11.322 3.459 1.00 0.00 C ATOM 677 O THR A 44 5.470 -11.425 3.463 1.00 0.00 O ATOM 678 CB THR A 44 8.331 -11.668 1.605 1.00 0.00 C ATOM 679 OG1 THR A 44 8.389 -11.383 0.203 1.00 0.00 O ATOM 680 CG2 THR A 44 7.804 -13.079 1.820 1.00 0.00 C ATOM 0 H THR A 44 9.143 -9.421 2.385 1.00 0.00 H new ATOM 0 HA THR A 44 6.711 -10.242 1.603 1.00 0.00 H new ATOM 0 HB THR A 44 9.333 -11.602 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.961 -12.043 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.452 -13.791 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.789 -13.303 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.793 -13.155 1.419 1.00 0.00 H new ATOM 688 N PRO A 45 7.458 -11.802 4.454 1.00 0.00 N ATOM 689 CA PRO A 45 6.895 -12.486 5.622 1.00 0.00 C ATOM 690 C PRO A 45 6.128 -11.536 6.536 1.00 0.00 C ATOM 691 O PRO A 45 5.071 -11.885 7.062 1.00 0.00 O ATOM 692 CB PRO A 45 8.130 -13.038 6.339 1.00 0.00 C ATOM 693 CG PRO A 45 9.243 -12.140 5.922 1.00 0.00 C ATOM 694 CD PRO A 45 8.926 -11.714 4.515 1.00 0.00 C ATOM 0 HA PRO A 45 6.173 -13.251 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.997 -13.028 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.326 -14.071 6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.317 -11.277 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.201 -12.659 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.277 -10.702 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.398 -12.367 3.781 1.00 0.00 H new ATOM 702 N ASP A 46 6.667 -10.336 6.719 1.00 0.00 N ATOM 703 CA ASP A 46 6.032 -9.335 7.569 1.00 0.00 C ATOM 704 C ASP A 46 4.576 -9.123 7.164 1.00 0.00 C ATOM 705 O ASP A 46 3.659 -9.435 7.923 1.00 0.00 O ATOM 706 CB ASP A 46 6.794 -8.011 7.491 1.00 0.00 C ATOM 707 CG ASP A 46 7.893 -7.914 8.531 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.619 -8.210 9.713 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.026 -7.543 8.163 1.00 0.00 O ATOM 0 H ASP A 46 7.542 -10.032 6.291 1.00 0.00 H new ATOM 0 HA ASP A 46 6.056 -9.699 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.228 -7.903 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.096 -7.185 7.626 1.00 0.00 H new ATOM 714 N ARG A 47 4.373 -8.589 5.964 1.00 0.00 N ATOM 715 CA ARG A 47 3.030 -8.333 5.459 1.00 0.00 C ATOM 716 C ARG A 47 2.074 -9.450 5.866 1.00 0.00 C ATOM 717 O ARG A 47 0.903 -9.204 6.157 1.00 0.00 O ATOM 718 CB ARG A 47 3.052 -8.195 3.936 1.00 0.00 C ATOM 719 CG ARG A 47 1.669 -8.083 3.314 1.00 0.00 C ATOM 720 CD ARG A 47 1.740 -8.081 1.795 1.00 0.00 C ATOM 721 NE ARG A 47 2.365 -9.294 1.274 1.00 0.00 N ATOM 722 CZ ARG A 47 3.678 -9.449 1.149 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.501 -8.472 1.505 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.171 -10.582 0.667 1.00 0.00 N ATOM 0 H ARG A 47 5.122 -8.325 5.324 1.00 0.00 H new ATOM 0 HA ARG A 47 2.677 -7.399 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.634 -7.313 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.564 -9.057 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.050 -8.915 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.187 -7.168 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.734 -7.987 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.303 -7.210 1.460 1.00 0.00 H new ATOM 0 HE ARG A 47 1.760 -10.064 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.126 -7.599 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.509 -8.594 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.541 -11.336 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.180 -10.699 0.572 1.00 0.00 H new ATOM 738 N ILE A 48 2.581 -10.678 5.882 1.00 0.00 N ATOM 739 CA ILE A 48 1.772 -11.833 6.253 1.00 0.00 C ATOM 740 C ILE A 48 1.439 -11.815 7.741 1.00 0.00 C ATOM 741 O ILE A 48 0.271 -11.885 8.127 1.00 0.00 O ATOM 742 CB ILE A 48 2.488 -13.154 5.915 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.878 -13.184 4.436 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.601 -14.341 6.259 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.699 -14.395 4.052 1.00 0.00 C ATOM 0 H ILE A 48 3.548 -10.899 5.643 1.00 0.00 H new ATOM 0 HA ILE A 48 0.850 -11.771 5.675 1.00 0.00 H new ATOM 0 HB ILE A 48 3.397 -13.220 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.973 -13.162 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.443 -12.282 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.121 -15.267 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.369 -14.326 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.676 -14.282 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.939 -14.350 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.622 -14.408 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.129 -15.301 4.257 1.00 0.00 H new ATOM 757 N ASP A 49 2.471 -11.719 8.572 1.00 0.00 N ATOM 758 CA ASP A 49 2.287 -11.689 10.019 1.00 0.00 C ATOM 759 C ASP A 49 1.147 -10.752 10.402 1.00 0.00 C ATOM 760 O ASP A 49 0.288 -11.101 11.214 1.00 0.00 O ATOM 761 CB ASP A 49 3.579 -11.249 10.709 1.00 0.00 C ATOM 762 CG ASP A 49 3.607 -11.622 12.178 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.294 -12.787 12.499 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.942 -10.749 13.006 1.00 0.00 O ATOM 0 H ASP A 49 3.443 -11.661 8.269 1.00 0.00 H new ATOM 0 HA ASP A 49 2.032 -12.696 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.430 -11.706 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.691 -10.169 10.609 1.00 0.00 H new ATOM 769 N LEU A 50 1.144 -9.560 9.815 1.00 0.00 N ATOM 770 CA LEU A 50 0.108 -8.572 10.096 1.00 0.00 C ATOM 771 C LEU A 50 -1.256 -9.061 9.619 1.00 0.00 C ATOM 772 O LEU A 50 -2.198 -9.163 10.404 1.00 0.00 O ATOM 773 CB LEU A 50 0.450 -7.242 9.422 1.00 0.00 C ATOM 774 CG LEU A 50 -0.715 -6.271 9.222 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.077 -5.595 10.535 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.370 -5.234 8.163 1.00 0.00 C ATOM 0 H LEU A 50 1.847 -9.254 9.142 1.00 0.00 H new ATOM 0 HA LEU A 50 0.063 -8.426 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.215 -6.743 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.891 -7.454 8.448 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.580 -6.838 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.908 -4.908 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.368 -6.350 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.216 -5.042 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.210 -4.552 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.509 -4.671 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.161 -5.735 7.218 1.00 0.00 H new ATOM 788 N ALA A 51 -1.352 -9.363 8.329 1.00 0.00 N ATOM 789 CA ALA A 51 -2.600 -9.846 7.749 1.00 0.00 C ATOM 790 C ALA A 51 -3.221 -10.937 8.614 1.00 0.00 C ATOM 791 O ALA A 51 -4.434 -11.143 8.591 1.00 0.00 O ATOM 792 CB ALA A 51 -2.360 -10.361 6.337 1.00 0.00 C ATOM 0 H ALA A 51 -0.582 -9.282 7.665 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.300 -9.011 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.299 -10.719 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.968 -9.555 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.640 -11.179 6.366 1.00 0.00 H new ATOM 798 N GLU A 52 -2.382 -11.632 9.375 1.00 0.00 N ATOM 799 CA GLU A 52 -2.851 -12.704 10.246 1.00 0.00 C ATOM 800 C GLU A 52 -3.346 -12.145 11.577 1.00 0.00 C ATOM 801 O GLU A 52 -4.238 -12.713 12.208 1.00 0.00 O ATOM 802 CB GLU A 52 -1.733 -13.719 10.490 1.00 0.00 C ATOM 803 CG GLU A 52 -1.699 -14.845 9.471 1.00 0.00 C ATOM 804 CD GLU A 52 -2.755 -15.901 9.733 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.948 -15.620 9.493 1.00 0.00 O ATOM 806 OE2 GLU A 52 -2.388 -17.009 10.177 1.00 0.00 O ATOM 0 H GLU A 52 -1.375 -11.473 9.406 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.683 -13.204 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.774 -13.201 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.852 -14.145 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.844 -14.431 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.714 -15.311 9.483 1.00 0.00 H new ATOM 813 N SER A 53 -2.760 -11.029 11.998 1.00 0.00 N ATOM 814 CA SER A 53 -3.138 -10.395 13.256 1.00 0.00 C ATOM 815 C SER A 53 -4.545 -9.811 13.169 1.00 0.00 C ATOM 816 O SER A 53 -5.356 -9.977 14.082 1.00 0.00 O ATOM 817 CB SER A 53 -2.138 -9.294 13.617 1.00 0.00 C ATOM 818 OG SER A 53 -2.383 -8.790 14.919 1.00 0.00 O ATOM 0 H SER A 53 -2.022 -10.545 11.487 1.00 0.00 H new ATOM 0 HA SER A 53 -3.127 -11.156 14.036 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.123 -9.687 13.561 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.206 -8.484 12.891 1.00 0.00 H new ATOM 0 HG SER A 53 -1.730 -8.089 15.127 1.00 0.00 H new ATOM 824 N LEU A 54 -4.828 -9.128 12.066 1.00 0.00 N ATOM 825 CA LEU A 54 -6.137 -8.518 11.858 1.00 0.00 C ATOM 826 C LEU A 54 -7.054 -9.452 11.075 1.00 0.00 C ATOM 827 O LEU A 54 -8.274 -9.409 11.224 1.00 0.00 O ATOM 828 CB LEU A 54 -5.990 -7.188 11.117 1.00 0.00 C ATOM 829 CG LEU A 54 -4.905 -6.246 11.637 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.628 -5.142 10.628 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.310 -5.654 12.979 1.00 0.00 C ATOM 0 H LEU A 54 -4.169 -8.982 11.301 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.585 -8.334 12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.786 -7.401 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.946 -6.666 11.156 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.989 -6.821 11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.853 -4.481 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.293 -5.583 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.540 -4.570 10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.525 -4.986 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.239 -5.095 12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.457 -6.457 13.701 1.00 0.00 H new ATOM 843 N GLY A 55 -6.457 -10.298 10.241 1.00 0.00 N ATOM 844 CA GLY A 55 -7.235 -11.232 9.448 1.00 0.00 C ATOM 845 C GLY A 55 -7.482 -10.731 8.039 1.00 0.00 C ATOM 846 O GLY A 55 -8.503 -11.049 7.429 1.00 0.00 O ATOM 0 H GLY A 55 -5.448 -10.353 10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.714 -12.188 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.191 -11.412 9.939 1.00 0.00 H new ATOM 850 N LEU A 56 -6.546 -9.943 7.520 1.00 0.00 N ATOM 851 CA LEU A 56 -6.667 -9.395 6.174 1.00 0.00 C ATOM 852 C LEU A 56 -5.903 -10.250 5.167 1.00 0.00 C ATOM 853 O LEU A 56 -5.153 -11.150 5.545 1.00 0.00 O ATOM 854 CB LEU A 56 -6.147 -7.957 6.138 1.00 0.00 C ATOM 855 CG LEU A 56 -6.764 -6.995 7.153 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.858 -5.792 7.368 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.145 -6.550 6.695 1.00 0.00 C ATOM 0 H LEU A 56 -5.695 -9.670 8.011 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.722 -9.400 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.069 -7.978 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.315 -7.556 5.139 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.870 -7.519 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.314 -5.118 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.891 -6.127 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.720 -5.267 6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.569 -5.866 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.064 -6.045 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.793 -7.421 6.594 1.00 0.00 H new ATOM 869 N SER A 57 -6.099 -9.961 3.885 1.00 0.00 N ATOM 870 CA SER A 57 -5.429 -10.703 2.823 1.00 0.00 C ATOM 871 C SER A 57 -4.188 -9.960 2.339 1.00 0.00 C ATOM 872 O SER A 57 -4.239 -8.761 2.064 1.00 0.00 O ATOM 873 CB SER A 57 -6.387 -10.937 1.653 1.00 0.00 C ATOM 874 OG SER A 57 -7.633 -11.437 2.106 1.00 0.00 O ATOM 0 H SER A 57 -6.716 -9.218 3.556 1.00 0.00 H new ATOM 0 HA SER A 57 -5.118 -11.666 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.541 -10.003 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.943 -11.642 0.950 1.00 0.00 H new ATOM 0 HG SER A 57 -8.228 -11.576 1.340 1.00 0.00 H new ATOM 880 N GLN A 58 -3.076 -10.680 2.237 1.00 0.00 N ATOM 881 CA GLN A 58 -1.822 -10.089 1.787 1.00 0.00 C ATOM 882 C GLN A 58 -2.074 -9.006 0.743 1.00 0.00 C ATOM 883 O GLN A 58 -1.345 -8.015 0.672 1.00 0.00 O ATOM 884 CB GLN A 58 -0.904 -11.167 1.209 1.00 0.00 C ATOM 885 CG GLN A 58 -0.422 -12.174 2.241 1.00 0.00 C ATOM 886 CD GLN A 58 0.222 -13.393 1.611 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.538 -13.344 1.437 1.00 0.00 O flip ATOM 888 NE2 GLN A 58 -0.455 -14.368 1.283 1.00 0.00 N flip ATOM 0 H GLN A 58 -3.018 -11.674 2.460 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.336 -9.631 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.433 -11.696 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.039 -10.688 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.295 -11.692 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.265 -12.490 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.464 -14.363 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.007 -15.181 0.859 1.00 0.00 H new ATOM 897 N LEU A 59 -3.110 -9.201 -0.065 1.00 0.00 N ATOM 898 CA LEU A 59 -3.459 -8.240 -1.106 1.00 0.00 C ATOM 899 C LEU A 59 -3.803 -6.883 -0.502 1.00 0.00 C ATOM 900 O LEU A 59 -3.257 -5.857 -0.906 1.00 0.00 O ATOM 901 CB LEU A 59 -4.639 -8.758 -1.931 1.00 0.00 C ATOM 902 CG LEU A 59 -5.126 -7.842 -3.054 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.121 -7.815 -4.195 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.491 -8.292 -3.555 1.00 0.00 C ATOM 0 H LEU A 59 -3.723 -10.015 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.594 -8.118 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.358 -9.717 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.473 -8.947 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.221 -6.831 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.485 -7.158 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.164 -7.445 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.993 -8.822 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.822 -7.629 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.421 -9.311 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.209 -8.259 -2.735 1.00 0.00 H new ATOM 916 N GLN A 60 -4.711 -6.886 0.469 1.00 0.00 N ATOM 917 CA GLN A 60 -5.126 -5.655 1.130 1.00 0.00 C ATOM 918 C GLN A 60 -3.929 -4.748 1.394 1.00 0.00 C ATOM 919 O GLN A 60 -3.879 -3.614 0.917 1.00 0.00 O ATOM 920 CB GLN A 60 -5.839 -5.973 2.446 1.00 0.00 C ATOM 921 CG GLN A 60 -7.183 -6.657 2.259 1.00 0.00 C ATOM 922 CD GLN A 60 -8.243 -5.722 1.711 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.962 -4.875 0.863 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.472 -5.872 2.193 1.00 0.00 N ATOM 0 H GLN A 60 -5.173 -7.727 0.815 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.816 -5.132 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.197 -6.612 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.986 -5.048 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.065 -7.503 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.518 -7.059 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.661 -6.587 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.227 -5.272 1.861 1.00 0.00 H new ATOM 933 N VAL A 61 -2.965 -5.254 2.156 1.00 0.00 N ATOM 934 CA VAL A 61 -1.767 -4.490 2.483 1.00 0.00 C ATOM 935 C VAL A 61 -1.040 -4.042 1.220 1.00 0.00 C ATOM 936 O VAL A 61 -0.801 -2.851 1.017 1.00 0.00 O ATOM 937 CB VAL A 61 -0.798 -5.310 3.355 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.367 -4.447 3.816 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.532 -5.909 4.546 1.00 0.00 C ATOM 0 H VAL A 61 -2.990 -6.191 2.559 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.094 -3.613 3.042 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.398 -6.127 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.041 -5.044 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.907 -4.070 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.011 -3.608 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.833 -6.485 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.961 -5.109 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.329 -6.563 4.191 1.00 0.00 H new ATOM 949 N LYS A 62 -0.691 -5.003 0.372 1.00 0.00 N ATOM 950 CA LYS A 62 0.007 -4.709 -0.874 1.00 0.00 C ATOM 951 C LYS A 62 -0.653 -3.546 -1.606 1.00 0.00 C ATOM 952 O LYS A 62 -0.038 -2.499 -1.815 1.00 0.00 O ATOM 953 CB LYS A 62 0.030 -5.946 -1.774 1.00 0.00 C ATOM 954 CG LYS A 62 1.003 -5.836 -2.935 1.00 0.00 C ATOM 955 CD LYS A 62 0.836 -6.986 -3.914 1.00 0.00 C ATOM 956 CE LYS A 62 -0.417 -6.820 -4.761 1.00 0.00 C ATOM 957 NZ LYS A 62 -0.811 -8.093 -5.425 1.00 0.00 N ATOM 0 H LYS A 62 -0.880 -5.994 0.525 1.00 0.00 H new ATOM 0 HA LYS A 62 1.031 -4.427 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.291 -6.817 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.972 -6.118 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.847 -4.890 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.025 -5.826 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.710 -7.043 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.784 -7.927 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.236 -6.470 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.245 -6.054 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.669 -7.938 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.040 -8.415 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.000 -8.817 -4.703 1.00 0.00 H new ATOM 971 N THR A 63 -1.911 -3.734 -1.995 1.00 0.00 N ATOM 972 CA THR A 63 -2.655 -2.701 -2.704 1.00 0.00 C ATOM 973 C THR A 63 -2.870 -1.475 -1.822 1.00 0.00 C ATOM 974 O THR A 63 -2.387 -0.386 -2.130 1.00 0.00 O ATOM 975 CB THR A 63 -4.023 -3.221 -3.182 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.843 -4.336 -4.062 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.800 -2.126 -3.896 1.00 0.00 C ATOM 0 H THR A 63 -2.436 -4.593 -1.830 1.00 0.00 H new ATOM 0 HA THR A 63 -2.058 -2.421 -3.572 1.00 0.00 H new ATOM 0 HB THR A 63 -4.592 -3.536 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.718 -4.662 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.763 -2.518 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.961 -1.291 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.234 -1.783 -4.762 1.00 0.00 H new ATOM 985 N TRP A 64 -3.595 -1.662 -0.726 1.00 0.00 N ATOM 986 CA TRP A 64 -3.873 -0.570 0.201 1.00 0.00 C ATOM 987 C TRP A 64 -2.663 0.346 0.342 1.00 0.00 C ATOM 988 O TRP A 64 -2.785 1.568 0.258 1.00 0.00 O ATOM 989 CB TRP A 64 -4.270 -1.125 1.570 1.00 0.00 C ATOM 990 CG TRP A 64 -4.745 -0.070 2.524 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.036 0.317 2.741 1.00 0.00 C ATOM 992 CD2 TRP A 64 -3.932 0.733 3.386 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.075 1.312 3.687 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.798 1.585 4.099 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.558 0.814 3.627 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.332 2.506 5.034 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.097 1.729 4.555 1.00 0.00 C ATOM 998 CH2 TRP A 64 -2.982 2.564 5.250 1.00 0.00 C ATOM 0 H TRP A 64 -4.001 -2.558 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.701 0.013 -0.201 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.057 -1.867 1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.415 -1.641 2.007 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.899 -0.098 2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.919 1.773 4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.868 0.173 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.012 3.152 5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.037 1.802 4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.591 3.267 5.970 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.496 -0.251 0.555 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.263 0.512 0.710 1.00 0.00 C ATOM 1011 C TYR A 65 0.002 1.373 -0.522 1.00 0.00 C ATOM 1012 O TYR A 65 0.042 2.600 -0.437 1.00 0.00 O ATOM 1013 CB TYR A 65 0.918 -0.429 0.952 1.00 0.00 C ATOM 1014 CG TYR A 65 1.178 -0.710 2.415 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.187 -1.250 3.226 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.415 -0.436 2.986 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.421 -1.507 4.563 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.657 -0.691 4.322 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.657 -1.226 5.106 1.00 0.00 C ATOM 1020 OH TYR A 65 1.894 -1.482 6.437 1.00 0.00 O ATOM 0 H TYR A 65 -1.378 -1.262 0.624 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.378 1.168 1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.732 -1.372 0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.814 0.005 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.782 -1.472 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.201 -0.017 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.360 -1.926 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.624 -0.472 4.750 1.00 0.00 H new ATOM 0 HH TYR A 65 2.859 -1.460 6.608 1.00 0.00 H new ATOM 1030 N GLN A 66 0.183 0.719 -1.665 1.00 0.00 N ATOM 1031 CA GLN A 66 0.445 1.423 -2.914 1.00 0.00 C ATOM 1032 C GLN A 66 -0.497 2.611 -3.077 1.00 0.00 C ATOM 1033 O GLN A 66 -0.055 3.747 -3.248 1.00 0.00 O ATOM 1034 CB GLN A 66 0.294 0.471 -4.102 1.00 0.00 C ATOM 1035 CG GLN A 66 1.340 -0.632 -4.134 1.00 0.00 C ATOM 1036 CD GLN A 66 1.659 -1.093 -5.543 1.00 0.00 C ATOM 1037 OE1 GLN A 66 2.434 -0.456 -6.256 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.061 -2.206 -5.951 1.00 0.00 N ATOM 0 H GLN A 66 0.153 -0.297 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 66 1.469 1.796 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.698 0.019 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.354 1.045 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.253 -0.276 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.985 -1.481 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.426 -2.702 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.237 -2.565 -6.889 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.797 2.341 -3.022 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.802 3.389 -3.165 1.00 0.00 C ATOM 1049 C ASN A 67 -2.528 4.540 -2.202 1.00 0.00 C ATOM 1050 O ASN A 67 -2.604 5.709 -2.579 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.200 2.821 -2.914 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.510 1.632 -3.804 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -3.718 1.271 -4.674 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.668 1.018 -3.588 1.00 0.00 N ATOM 0 H ASN A 67 -2.179 1.406 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.750 3.771 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.285 2.521 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.942 3.601 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.931 0.212 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.294 1.352 -2.855 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.208 4.200 -0.958 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.924 5.205 0.060 1.00 0.00 C ATOM 1063 C ARG A 68 -0.754 6.090 -0.363 1.00 0.00 C ATOM 1064 O ARG A 68 -0.822 7.315 -0.260 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.611 4.532 1.398 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.846 4.042 2.136 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.654 5.200 2.700 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.892 5.978 3.672 1.00 0.00 N ATOM 1069 CZ ARG A 68 -3.421 6.937 4.424 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.709 7.233 4.316 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.662 7.601 5.286 1.00 0.00 N ATOM 0 H ARG A 68 -2.139 3.237 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.809 5.831 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.944 3.688 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.074 5.237 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.469 3.459 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.547 3.377 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.973 5.850 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.558 4.815 3.173 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.898 5.774 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.296 6.724 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.113 7.970 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.671 7.375 5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.069 8.337 5.863 1.00 0.00 H new ATOM 1085 N ARG A 69 0.316 5.461 -0.837 1.00 0.00 N ATOM 1086 CA ARG A 69 1.500 6.190 -1.273 1.00 0.00 C ATOM 1087 C ARG A 69 1.118 7.353 -2.183 1.00 0.00 C ATOM 1088 O ARG A 69 1.717 8.427 -2.120 1.00 0.00 O ATOM 1089 CB ARG A 69 2.464 5.253 -2.003 1.00 0.00 C ATOM 1090 CG ARG A 69 3.233 4.327 -1.075 1.00 0.00 C ATOM 1091 CD ARG A 69 4.267 3.511 -1.834 1.00 0.00 C ATOM 1092 NE ARG A 69 5.210 4.359 -2.558 1.00 0.00 N ATOM 1093 CZ ARG A 69 4.980 4.842 -3.774 1.00 0.00 C ATOM 1094 NH1 ARG A 69 3.845 4.560 -4.399 1.00 0.00 N ATOM 1095 NH2 ARG A 69 5.887 5.607 -4.368 1.00 0.00 N ATOM 0 H ARG A 69 0.387 4.448 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 69 1.995 6.590 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.902 4.652 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.173 5.850 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.728 4.914 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.538 3.656 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.813 2.877 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.761 2.849 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 69 6.094 4.593 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.146 3.971 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.671 4.932 -5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.762 5.825 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.709 5.977 -5.302 1.00 0.00 H new ATOM 1109 N MET A 70 0.117 7.132 -3.029 1.00 0.00 N ATOM 1110 CA MET A 70 -0.345 8.161 -3.952 1.00 0.00 C ATOM 1111 C MET A 70 -0.703 9.442 -3.204 1.00 0.00 C ATOM 1112 O MET A 70 -0.136 10.503 -3.462 1.00 0.00 O ATOM 1113 CB MET A 70 -1.558 7.663 -4.741 1.00 0.00 C ATOM 1114 CG MET A 70 -1.297 6.376 -5.506 1.00 0.00 C ATOM 1115 SD MET A 70 -2.797 5.680 -6.226 1.00 0.00 S ATOM 1116 CE MET A 70 -2.132 4.252 -7.079 1.00 0.00 C ATOM 0 H MET A 70 -0.390 6.249 -3.094 1.00 0.00 H new ATOM 0 HA MET A 70 0.466 8.380 -4.646 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.389 7.505 -4.053 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.868 8.437 -5.443 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.574 6.569 -6.298 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.847 5.644 -4.835 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.941 3.716 -7.576 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.403 4.578 -7.821 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.647 3.592 -6.360 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.646 9.335 -2.274 1.00 0.00 N ATOM 1127 CA LYS A 71 -2.079 10.483 -1.487 1.00 0.00 C ATOM 1128 C LYS A 71 -0.958 10.972 -0.576 1.00 0.00 C ATOM 1129 O LYS A 71 -0.745 12.175 -0.429 1.00 0.00 O ATOM 1130 CB LYS A 71 -3.308 10.120 -0.651 1.00 0.00 C ATOM 1131 CG LYS A 71 -3.985 11.320 -0.012 1.00 0.00 C ATOM 1132 CD LYS A 71 -3.408 11.620 1.361 1.00 0.00 C ATOM 1133 CE LYS A 71 -4.006 12.888 1.952 1.00 0.00 C ATOM 1134 NZ LYS A 71 -3.351 14.113 1.414 1.00 0.00 N ATOM 0 H LYS A 71 -2.125 8.464 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.340 11.286 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.028 9.602 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.011 9.421 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.866 12.191 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.055 11.132 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.600 10.780 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.326 11.727 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.074 12.922 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.902 12.867 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.786 14.955 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.337 14.094 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.472 14.146 0.382 1.00 0.00 H new ATOM 1148 N TRP A 72 -0.243 10.032 0.032 1.00 0.00 N ATOM 1149 CA TRP A 72 0.857 10.368 0.927 1.00 0.00 C ATOM 1150 C TRP A 72 1.850 11.302 0.244 1.00 0.00 C ATOM 1151 O TRP A 72 2.335 12.259 0.848 1.00 0.00 O ATOM 1152 CB TRP A 72 1.571 9.097 1.391 1.00 0.00 C ATOM 1153 CG TRP A 72 2.926 9.357 1.978 1.00 0.00 C ATOM 1154 CD1 TRP A 72 3.199 9.878 3.210 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.191 9.108 1.355 1.00 0.00 C ATOM 1156 NE1 TRP A 72 4.558 9.969 3.391 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.189 9.502 2.268 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.578 8.589 0.117 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 6.546 9.394 1.979 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 5.926 8.483 -0.169 1.00 0.00 C ATOM 1161 CH2 TRP A 72 6.897 8.883 0.759 1.00 0.00 C ATOM 0 H TRP A 72 -0.406 9.031 -0.079 1.00 0.00 H new ATOM 0 HA TRP A 72 0.442 10.881 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.953 8.592 2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.674 8.417 0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.456 10.175 3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.022 10.326 4.226 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.837 8.276 -0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.296 9.703 2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.236 8.085 -1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.943 8.786 0.506 1.00 0.00 H new ATOM 1172 N LYS A 73 2.147 11.020 -1.020 1.00 0.00 N ATOM 1173 CA LYS A 73 3.081 11.835 -1.787 1.00 0.00 C ATOM 1174 C LYS A 73 2.837 13.321 -1.539 1.00 0.00 C ATOM 1175 O LYS A 73 1.743 13.830 -1.780 1.00 0.00 O ATOM 1176 CB LYS A 73 2.949 11.529 -3.281 1.00 0.00 C ATOM 1177 CG LYS A 73 3.701 10.283 -3.715 1.00 0.00 C ATOM 1178 CD LYS A 73 5.174 10.573 -3.949 1.00 0.00 C ATOM 1179 CE LYS A 73 5.842 9.463 -4.745 1.00 0.00 C ATOM 1180 NZ LYS A 73 7.324 9.494 -4.606 1.00 0.00 N ATOM 0 H LYS A 73 1.754 10.232 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 73 4.091 11.590 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.894 11.411 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.316 12.382 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.598 9.511 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.257 9.889 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.279 11.518 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.680 10.689 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.466 8.497 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.574 9.559 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.741 8.722 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.686 10.405 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.581 9.377 -3.605 1.00 0.00 H new ATOM 1194 N LYS A 74 3.864 14.011 -1.056 1.00 0.00 N ATOM 1195 CA LYS A 74 3.764 15.439 -0.776 1.00 0.00 C ATOM 1196 C LYS A 74 4.298 16.260 -1.945 1.00 0.00 C ATOM 1197 O LYS A 74 5.509 16.358 -2.145 1.00 0.00 O ATOM 1198 CB LYS A 74 4.534 15.785 0.500 1.00 0.00 C ATOM 1199 CG LYS A 74 3.958 16.970 1.255 1.00 0.00 C ATOM 1200 CD LYS A 74 4.506 18.286 0.731 1.00 0.00 C ATOM 1201 CE LYS A 74 5.855 18.616 1.353 1.00 0.00 C ATOM 1202 NZ LYS A 74 5.707 19.254 2.691 1.00 0.00 N ATOM 0 H LYS A 74 4.776 13.604 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 74 2.711 15.684 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.542 14.915 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.571 15.999 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.872 16.966 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.191 16.875 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.607 18.233 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.799 19.087 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.444 17.704 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.407 19.284 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.648 19.463 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.167 20.138 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.203 18.607 3.330 1.00 0.00 H new ATOM 1216 N SER A 75 3.388 16.851 -2.713 1.00 0.00 N ATOM 1217 CA SER A 75 3.769 17.663 -3.862 1.00 0.00 C ATOM 1218 C SER A 75 3.441 19.134 -3.622 1.00 0.00 C ATOM 1219 O SER A 75 2.384 19.619 -4.022 1.00 0.00 O ATOM 1220 CB SER A 75 3.053 17.169 -5.121 1.00 0.00 C ATOM 1221 OG SER A 75 3.833 17.412 -6.280 1.00 0.00 O ATOM 0 H SER A 75 2.382 16.782 -2.560 1.00 0.00 H new ATOM 0 HA SER A 75 4.846 17.567 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.850 16.102 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.090 17.670 -5.216 1.00 0.00 H new ATOM 0 HG SER A 75 3.355 17.086 -7.071 1.00 0.00 H new ATOM 1227 N GLY A 76 4.357 19.838 -2.963 1.00 0.00 N ATOM 1228 CA GLY A 76 4.148 21.245 -2.680 1.00 0.00 C ATOM 1229 C GLY A 76 4.952 22.147 -3.595 1.00 0.00 C ATOM 1230 O GLY A 76 4.452 22.650 -4.602 1.00 0.00 O ATOM 0 H GLY A 76 5.240 19.458 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.089 21.480 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.420 21.448 -1.644 1.00 0.00 H new ATOM 1234 N PRO A 77 6.229 22.364 -3.247 1.00 0.00 N ATOM 1235 CA PRO A 77 7.130 23.213 -4.032 1.00 0.00 C ATOM 1236 C PRO A 77 7.500 22.584 -5.370 1.00 0.00 C ATOM 1237 O PRO A 77 8.240 23.171 -6.159 1.00 0.00 O ATOM 1238 CB PRO A 77 8.367 23.337 -3.139 1.00 0.00 C ATOM 1239 CG PRO A 77 8.343 22.116 -2.287 1.00 0.00 C ATOM 1240 CD PRO A 77 6.891 21.797 -2.060 1.00 0.00 C ATOM 0 HA PRO A 77 6.672 24.169 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.280 23.388 -3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.329 24.243 -2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.852 21.287 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.857 22.290 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.723 20.723 -1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.520 22.247 -1.139 1.00 0.00 H new ATOM 1248 N SER A 78 6.979 21.387 -5.621 1.00 0.00 N ATOM 1249 CA SER A 78 7.258 20.677 -6.864 1.00 0.00 C ATOM 1250 C SER A 78 8.752 20.685 -7.170 1.00 0.00 C ATOM 1251 O SER A 78 9.163 20.916 -8.308 1.00 0.00 O ATOM 1252 CB SER A 78 6.485 21.310 -8.022 1.00 0.00 C ATOM 1253 OG SER A 78 6.806 22.684 -8.159 1.00 0.00 O ATOM 0 H SER A 78 6.361 20.889 -4.980 1.00 0.00 H new ATOM 0 HA SER A 78 6.935 19.643 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.717 20.785 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.414 21.199 -7.852 1.00 0.00 H new ATOM 0 HG SER A 78 7.644 22.873 -7.687 1.00 0.00 H new ATOM 1259 N SER A 79 9.562 20.431 -6.147 1.00 0.00 N ATOM 1260 CA SER A 79 11.011 20.413 -6.305 1.00 0.00 C ATOM 1261 C SER A 79 11.521 18.985 -6.473 1.00 0.00 C ATOM 1262 O SER A 79 11.303 18.131 -5.615 1.00 0.00 O ATOM 1263 CB SER A 79 11.685 21.068 -5.098 1.00 0.00 C ATOM 1264 OG SER A 79 13.083 21.187 -5.297 1.00 0.00 O ATOM 0 H SER A 79 9.239 20.235 -5.200 1.00 0.00 H new ATOM 0 HA SER A 79 11.261 20.978 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.254 22.054 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.491 20.476 -4.204 1.00 0.00 H new ATOM 0 HG SER A 79 13.490 21.610 -4.512 1.00 0.00 H new ATOM 1270 N GLY A 80 12.202 18.733 -7.587 1.00 0.00 N ATOM 1271 CA GLY A 80 12.733 17.408 -7.848 1.00 0.00 C ATOM 1272 C GLY A 80 11.915 16.648 -8.873 1.00 0.00 C ATOM 1273 O GLY A 80 12.467 15.954 -9.727 1.00 0.00 O ATOM 0 H GLY A 80 12.395 19.423 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.761 17.495 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.761 16.841 -6.917 1.00 0.00 H new TER 1277 GLY A 80